14440697
  -OEChem-04262406592D

 43 47  0     1  0  0  0  0  0999 V2000
    4.6140    4.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3840    4.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -4.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436   -0.5214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081    3.2861    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5228    0.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980    2.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160    4.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    4.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976   -0.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990   -1.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4880    1.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289   -1.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444   -2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755   -2.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708   -3.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436   -3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    1.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925    0.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683    2.0103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    2.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    4.9011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    4.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802   -0.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    1.8703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719    1.0208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214    1.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118    2.7340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -2.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9914   -2.2620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3095   -3.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8218   -4.8485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8  2  1  6  0  0  0
  2 39  1  0  0  0  0
  3 16  2  0  0  0  0
  4 19  2  0  0  0  0
  5 26  1  0  0  0  0
  5 43  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14440697

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
774

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QIEAAAAAAFix8AAAHgAACAAADEzhngYyzvMIFgCoAyXyXAKCgCAhIiAImCF+bNgJZvbC8ZOWcAhm5hHL+QewwPAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(19R)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(19R)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(19<I>R</I>)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0<SUP>2,11</SUP>.0<SUP>4,9</SUP>.0<SUP>15,20</SUP>]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

> <PUBCHEM_IUPAC_NAME>
(19R)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(19R)-19-ethyl-7,19-bis(oxidanyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(19R)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HAWSQZCWOQZXHI-HXUWFJFHSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
364.10592162

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
364.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O

> <PUBCHEM_CACTVS_TPSA>
100

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.10592162

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  16  8
14  15  8
14  20  8
8  2  6
20  21  8
21  23  8
21  24  8
23  25  8
24  26  8
25  27  8
26  27  8
6  10  8
6  16  8
7  15  8
7  23  8
9  11  8
9  13  8

$$$$